| Entry |
|
|---|
| Name |
Pevonedistat (USAN/INN) |
|---|
| Formula |
C21H25N5O4S
|
|---|
| Exact mass |
443.1627
|
|---|
| Mol weight |
443.52
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Remark |
|
|---|
| Efficacy |
Antineoplastic, NEDD8 activating enzyme inhibitor |
|---|
| Target |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Not elsewhere classified
Cellular process
Ubiquitin system
NAE1
D10413 Pevonedistat (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 31
1 C8x C 8.8900 -26.9500
2 C8x C 8.8900 -28.3500
3 C8y C 10.0800 -29.0500
4 C8y C 11.3400 -28.3500
5 C8x C 11.3400 -26.9500
6 C8x C 10.0800 -26.2500
7 C1x C 10.3600 -30.4500
8 C1x C 11.7600 -30.5900
9 C1y C 12.3900 -29.2600
10 N1b N 13.5800 -28.5600
11 C8y C 13.5800 -27.1600
12 C8y C 14.7700 -26.4600
13 C8y C 14.7700 -25.0600
14 N5x N 13.5800 -24.3600
15 C8x C 12.3900 -25.0600
16 N5x N 12.3900 -26.4600
17 C8x C 16.1000 -26.8800
18 C8x C 16.9400 -25.7600
19 N4y N 16.1000 -24.6400
20 C1y C 16.5200 -23.3100
21 C1x C 17.8500 -22.8900
22 C1y C 17.8500 -21.4900
23 C1y C 16.5200 -21.0700
24 C1x C 15.7500 -22.1900
25 O1a O 16.1000 -19.7400
26 C1b C 18.9700 -20.7200
27 O2a O 20.1600 -21.4200
28 S4a S 21.5600 -21.4200
29 O3c O 21.5600 -20.0200
30 O3c O 21.5600 -22.8200
31 N1a N 22.9600 -21.4200
BOND 35
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 3 7 1
8 7 8 1
9 8 9 1
10 4 9 1
11 9 10 1 #Up
12 10 11 1
13 11 12 2
14 12 13 1
15 13 14 2
16 14 15 1
17 15 16 2
18 11 16 1
19 12 17 1
20 17 18 2
21 18 19 1
22 13 19 1
23 20 19 1 #Up
24 20 21 1
25 21 22 1
26 22 23 1
27 23 24 1
28 20 24 1
29 23 25 1 #Down
30 22 26 1 #Down
31 26 27 1
32 27 28 1
33 28 29 2
34 28 30 2
35 28 31 1
|
|---|
